Geometry & MOs

Info

ID:

93765

PubChem CID:

49996530

Reduced:

FO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

636.343547

ΔHf, kcal/mol:

-286.13

Dipole, Da:

2.58

IP(EA), eV:

 -8.56(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)F

DOS

IR

Vibrations